Author Topic: Nanowire, Thin film from bulk crystal  (Read 2969 times)

0 Members and 1 Guest are viewing this topic.

Offline Inaoton

  • QuantumATK Guru
  • ****
  • Posts: 114
  • Country: in
  • Reputation: 0
    • View Profile
Nanowire, Thin film from bulk crystal
« on: December 7, 2017, 08:30 »
Hello sir,
                  We create nanowire from bulk by converting first it to a cubic structure and build the nanowire in the preferred direction.
                  We cleave bulk crystal along the preferred direction and using interface builder we create thin film.
                  Question So the bulk crystal which has to be used initially for creating such structures, should it be structurally optimized at the first?
                 
       

Offline Ulrik G. Vej-Hansen

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 426
  • Country: dk
  • Reputation: 9
    • View Profile
Re: Nanowire, Thin film from bulk crystal
« Reply #1 on: December 7, 2017, 09:07 »
Yes, if you want the bulk equilibrium lattice constant as the starting point for the subsequent calculations, you should optimize the bulk first.